[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C19H23ClN2O2S — CID 174594287

IUPAC[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)18(23)24-22-11-5-4-6-16(22)17-21-15(12-25-17)13-7-9-14(20)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3/t16-/m1/s1
InChIKeySVSSBFHEXKJNMS-MRXNPFEDSA-N
MW378.93 g/mol
LogP5.49
Rot. Bonds3

About [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174594287) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174594287
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)18(23)24-22-11-5-4-6-16(22)17-21-15(12-25-17)13-7-9-14(20)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3/t16-/m1/s1
InChIKeySVSSBFHEXKJNMS-MRXNPFEDSA-N
XLogP5.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174594287) is [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is SVSSBFHEXKJNMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-19(2,3)18(23)24-22-11-5-4-6-16(22)17-21-15(12-25-17)13-7-9-14(20)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 378.93 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).